methyl 4-(1-cyclohexyl-3-ethyl-indazol-6-yl)-4-isocyano-cyclohexane-1-carboxylate

Systemtic Name: methyl 4-(1-cyclohexyl-3-ethyl-indazol-6-yl)-4-isocyano-cyclohexane-1-carboxylate Openeye Name: methyl 4-(1-cyclohexyl-3-ethyl-indazol-6-yl)-4-isocyano-cyclohexanecarboxylate CAS Name: 4-(1-cyclohexyl-3-ethyl-6-indazolyl)-4-isocyano-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-(1-cyclohexyl-3-ethylindazol-6-yl)-4-isocyanocyclohexane-1-carboxylate Traditional Name: 4-(1-cyclohexyl-3-ethyl-indazol-6-yl)-4-isocyano-cyclohexanecarboxylic acid methyl ester Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)C3(CCC(CC3)C(=O)OC)[N+]#[C-])C4CCCCC4

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)C3(CCC(CC3)C(=O)OC)[N+]#[C-])C4CCCCC4

InChI

InChI=1S/C24H31N3O2/c1-4-21-20-11-10-18(16-22(20)27(26-21)19-8-6-5-7-9-19)24(25-2)14-12-17(13-15-24)23(28)29-3/h10-11,16-17,19H,4-9,12-15H2,1,3H3